Geometry & MOs

Info

ID:	308069
PubChem CID:	125316834
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	6.0
IP(EA), eV:	-9.31(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9aR)-2-(2-chloroacetyl)-1-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2C(=C3C=CC=CC3=N2)CCN1C(=O)CCl)C(=O)O

DOS

IR

Vibrations